(E)-5-[tert-butyl(dimethyl)silyl]oxy-5-(1-propylcyclobutyl)pent-2-en-1-ol

C18H36O2Si — CID 67102119

IUPAC(E)-5-[tert-butyl(dimethyl)silyl]oxy-5-(1-propylcyclobutyl)pent-2-en-1-ol
SMILESCCCC1(C(C/C=C/CO)O[Si](C)(C)C(C)(C)C)CCC1
InChIInChI=1S/C18H36O2Si/c1-7-12-18(13-10-14-18)16(11-8-9-15-19)20-21(5,6)17(2,3)4/h8-9,16,19H,7,10-15H2,1-6H3/b9-8+
InChIKeyNMDGBQQVORJPGK-CMDGGOBGSA-N
MW312.57 g/mol
LogP5.29
Rot. Bonds8

About (E)-5-[tert-butyl(dimethyl)silyl]oxy-5-(1-propylcyclobutyl)pent-2-en-1-ol

(E)-5-[tert-butyl(dimethyl)silyl]oxy-5-(1-propylcyclobutyl)pent-2-en-1-ol (PubChem CID 67102119) has the molecular formula C18H36O2Si and a molecular weight of 312.57 g/mol. Its IUPAC name is (E)-5-[tert-butyl(dimethyl)silyl]oxy-5-(1-propylcyclobutyl)pent-2-en-1-ol.

Molecular Properties

Compound Name(E)-5-[tert-butyl(dimethyl)silyl]oxy-5-(1-propylcyclobutyl)pent-2-en-1-ol
PubChem CID67102119
Molecular FormulaC18H36O2Si
Molecular Weight312.57 g/mol
Exact Mass312.25
IUPAC Name(E)-5-[tert-butyl(dimethyl)silyl]oxy-5-(1-propylcyclobutyl)pent-2-en-1-ol
SMILESCCCC1(C(C/C=C/CO)O[Si](C)(C)C(C)(C)C)CCC1
InChIInChI=1S/C18H36O2Si/c1-7-12-18(13-10-14-18)16(11-8-9-15-19)20-21(5,6)17(2,3)4/h8-9,16,19H,7,10-15H2,1-6H3/b9-8+
InChIKeyNMDGBQQVORJPGK-CMDGGOBGSA-N
XLogP5.29
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.57
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

tert-butyl-dimethyl-[1-(1-propylcyclobutyl)but-3-ynoxy]silane
CID 15475299
(E)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylhex-2-en-1-ol
CID 19737479
methyl 7-[(1R,2R,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[4-[tert-butyl(dimethyl)silyl]oxy-4-(1-propylcyclobutyl)but-1-enyl]-5-hydroxycyclopentyl]hept-5-enoate
CID 90791084
methyl 2-[3-[(1R,2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-4-[tert-butyl(dimethyl)silyl]oxy-4-(1-propylcyclobutyl)but-1-enyl]-5-oxocyclopentyl]sulfanylpropylsulfanyl]acetate
CID 69338052
4-(1-butylcyclobutyl)-4-[tert-butyl(dimethyl)silyl]oxybut-2-yn-1-ol
CID 66993804
methyl (E,3R)-3-[tert-butyl(dimethyl)silyl]oxy-7-hydroxyhept-5-enoate
CID 10424227
(2E,5S,6S,7Z)-6-[tert-butyl(dimethyl)silyl]oxy-8-iodo-5-methylocta-2,7-dien-1-ol
CID 159080452
(5S,6R,7R)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methyldeca-2,8-dien-1-ol
CID 90951994
(E,2S)-2-[tert-butyl(dimethyl)silyl]oxydec-4-en-1-ol
CID 102588755
7-[(1R,2R,3R)-5-acetyloxy-2-[(E)-4-[tert-butyl(dimethyl)silyl]oxy-4-(1-propylcyclobutyl)but-1-enyl]-3-hydroxycyclopentyl]heptanoic acid;7-[(1R,2R,3R)-3-hydroxy-2-[(E)-4-hydroxy-4-(1-propylcyclobutyl)but-1-enyl]-5-oxocyclopentyl]heptanoic acid
CID 160986299
(Z,5R)-7-[tert-butyl(dimethyl)silyl]oxyhept-2-ene-1,5-diol
CID 53255144
(E,5S)-5-[tert-butyl(dimethyl)silyl]oxy-5-[(4S,6R)-2,2,6-trimethyl-1,3-dioxepan-4-yl]pent-2-en-1-ol
CID 71523826

Frequently Asked Questions

What is the IUPAC name of (E)-5-[tert-butyl(dimethyl)silyl]oxy-5-(1-propylcyclobutyl)pent-2-en-1-ol?
The IUPAC name of (E)-5-[tert-butyl(dimethyl)silyl]oxy-5-(1-propylcyclobutyl)pent-2-en-1-ol (CID 67102119) is (E)-5-[tert-butyl(dimethyl)silyl]oxy-5-(1-propylcyclobutyl)pent-2-en-1-ol.
What is the SMILES notation for (E)-5-[tert-butyl(dimethyl)silyl]oxy-5-(1-propylcyclobutyl)pent-2-en-1-ol?
The canonical SMILES for (E)-5-[tert-butyl(dimethyl)silyl]oxy-5-(1-propylcyclobutyl)pent-2-en-1-ol is CCCC1(C(C/C=C/CO)O[Si](C)(C)C(C)(C)C)CCC1.
What is the InChIKey of (E)-5-[tert-butyl(dimethyl)silyl]oxy-5-(1-propylcyclobutyl)pent-2-en-1-ol?
The InChIKey is NMDGBQQVORJPGK-CMDGGOBGSA-N. The full InChI is InChI=1S/C18H36O2Si/c1-7-12-18(13-10-14-18)16(11-8-9-15-19)20-21(5,6)17(2,3)4/h8-9,16,19H,7,10-15H2,1-6H3/b9-8+.
What are the key properties of (E)-5-[tert-butyl(dimethyl)silyl]oxy-5-(1-propylcyclobutyl)pent-2-en-1-ol?
(E)-5-[tert-butyl(dimethyl)silyl]oxy-5-(1-propylcyclobutyl)pent-2-en-1-ol has a molecular weight of 312.57 g/mol, XLogP of 5.29, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-[tert-butyl(dimethyl)silyl]oxy-5-(1-propylcyclobutyl)pent-2-en-1-ol is sourced from PubChem (CID 67102119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).